dimethyl 5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H16N2O9 MolecularWeight: 428.34904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC

InChI

InChI=1S/C20H16N2O9/c1-28-19(24)12-5-13(20(25)29-2)7-14(6-12)21-18(23)4-3-11-8-16-17(31-10-30-16)9-15(11)22(26)27/h3-9H,10H2,1-2H3,(H,21,23)/b4-3+